1,2,2-trimethyl-3-(4-methylsulfanylphenyl)carbonyl-cyclopentane-1-carboxylic acid

Systemtic Name: 1,2,2-trimethyl-3-(4-methylsulfanylphenyl)carbonyl-cyclopentane-1-carboxylic acid Openeye Name: 1,2,2-trimethyl-3-(4-methylsulfanylbenzoyl)cyclopentanecarboxylic acid CAS Name: 1,2,2-trimethyl-3-[[4-(methylthio)phenyl]-oxomethyl]-1-cyclopentanecarboxylic acid IUPAC Name: 1,2,2-trimethyl-3-(4-methylsulfanylbenzoyl)cyclopentane-1-carboxylic acid Traditional Name: 1,2,2-trimethyl-3-[4-(methylthio)benzoyl]cyclopentanecarboxylic acid Formula: C17H22O3S MolecularWeight: 306.41978

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C(=O)O)C(=O)C2=CC=C(C=C2)SC)C

Isomeric SMILES

CC1(C(CCC1(C)C(=O)O)C(=O)C2=CC=C(C=C2)SC)C

InChI

InChI=1S/C17H22O3S/c1-16(2)13(9-10-17(16,3)15(19)20)14(18)11-5-7-12(21-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,19,20)